2-cyano-3-hydroxy-N-(6-methoxy-3-pyridinyl)-3-(5-methyl-1,2-oxazol-4-yl)propanamide

C14H14N4O4 — CID 170119820

IUPAC2-cyano-3-hydroxy-N-(6-methoxy-3-pyridinyl)-3-(5-methyl-1,2-oxazol-4-yl)propanamide
SMILESCOc1ccc(NC(=O)C(C#N)C(O)c2cnoc2C)cn1
InChIInChI=1S/C14H14N4O4/c1-8-11(7-17-22-8)13(19)10(5-15)14(20)18-9-3-4-12(21-2)16-6-9/h3-4,6-7,10,13,19H,1-2H3,(H,18,20)
InChIKeyVYTHVTXCWNAZRN-UHFFFAOYSA-N
MW302.29 g/mol
LogP1.20
Rot. Bonds5

About 2-cyano-3-hydroxy-N-(6-methoxy-3-pyridinyl)-3-(5-methyl-1,2-oxazol-4-yl)propanamide

2-cyano-3-hydroxy-N-(6-methoxy-3-pyridinyl)-3-(5-methyl-1,2-oxazol-4-yl)propanamide (PubChem CID 170119820) has the molecular formula C14H14N4O4 and a molecular weight of 302.29 g/mol. Its IUPAC name is 2-cyano-3-hydroxy-N-(6-methoxy-3-pyridinyl)-3-(5-methyl-1,2-oxazol-4-yl)propanamide.

Molecular Properties

Compound Name2-cyano-3-hydroxy-N-(6-methoxy-3-pyridinyl)-3-(5-methyl-1,2-oxazol-4-yl)propanamide
PubChem CID170119820
Molecular FormulaC14H14N4O4
Molecular Weight302.29 g/mol
Exact Mass302.10
IUPAC Name2-cyano-3-hydroxy-N-(6-methoxy-3-pyridinyl)-3-(5-methyl-1,2-oxazol-4-yl)propanamide
SMILESCOc1ccc(NC(=O)C(C#N)C(O)c2cnoc2C)cn1
InChIInChI=1S/C14H14N4O4/c1-8-11(7-17-22-8)13(19)10(5-15)14(20)18-9-3-4-12(21-2)16-6-9/h3-4,6-7,10,13,19H,1-2H3,(H,18,20)
InChIKeyVYTHVTXCWNAZRN-UHFFFAOYSA-N
XLogP1.20
TPSA121.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-cyano-N-[4-(2-fluoroethoxy)pyrimidin-2-yl]-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)propanamide
CID 170065762
2-bromo-N-(6-methoxy-3-pyridinyl)propanamide
CID 107902789
(2S)-2-amino-N-(6-methoxy-3-pyridinyl)butanamide
CID 79025042
2-amino-N-(6-methoxy-3-pyridinyl)-2-(4-methylphenyl)acetamide
CID 106151757
(2R)-N-(3,5-dimethoxyphenyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide
CID 25345790
2-[[2-cyano-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)propanoyl]amino]-N-methyl-N-phenyl-4-(2-phenylethyl)pyrimidine-5-carboxamide
CID 170066126
3,4,5-trimethoxy-N-[(2S)-1-[(6-methoxy-3-pyridinyl)amino]-1-oxopropan-2-yl]benzamide
CID 9210823
N-(6-methoxy-3-pyridinyl)-2-phenoxy-2-phenylacetamide
CID 46489256
2-chloro-N-(6-methoxy-3-pyridinyl)acetamide
CID 2561820
trans-(1R,2R)-N-(6-methoxy-3-pyridinyl)-2-methylcyclopropane-1-carboxamide
CID 27646060
(2R)-2-amino-N-(6-methoxy-3-pyridinyl)-4-methylsulfanylbutanamide
CID 104906808
N-(6-methoxy-3-pyridinyl)-3-phenyl-2-sulfanylpropanamide
CID 107020855

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-hydroxy-N-(6-methoxy-3-pyridinyl)-3-(5-methyl-1,2-oxazol-4-yl)propanamide?
The IUPAC name of 2-cyano-3-hydroxy-N-(6-methoxy-3-pyridinyl)-3-(5-methyl-1,2-oxazol-4-yl)propanamide (CID 170119820) is 2-cyano-3-hydroxy-N-(6-methoxy-3-pyridinyl)-3-(5-methyl-1,2-oxazol-4-yl)propanamide.
What is the SMILES notation for 2-cyano-3-hydroxy-N-(6-methoxy-3-pyridinyl)-3-(5-methyl-1,2-oxazol-4-yl)propanamide?
The canonical SMILES for 2-cyano-3-hydroxy-N-(6-methoxy-3-pyridinyl)-3-(5-methyl-1,2-oxazol-4-yl)propanamide is COc1ccc(NC(=O)C(C#N)C(O)c2cnoc2C)cn1.
What is the InChIKey of 2-cyano-3-hydroxy-N-(6-methoxy-3-pyridinyl)-3-(5-methyl-1,2-oxazol-4-yl)propanamide?
The InChIKey is VYTHVTXCWNAZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O4/c1-8-11(7-17-22-8)13(19)10(5-15)14(20)18-9-3-4-12(21-2)16-6-9/h3-4,6-7,10,13,19H,1-2H3,(H,18,20).
What are the key properties of 2-cyano-3-hydroxy-N-(6-methoxy-3-pyridinyl)-3-(5-methyl-1,2-oxazol-4-yl)propanamide?
2-cyano-3-hydroxy-N-(6-methoxy-3-pyridinyl)-3-(5-methyl-1,2-oxazol-4-yl)propanamide has a molecular weight of 302.29 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-hydroxy-N-(6-methoxy-3-pyridinyl)-3-(5-methyl-1,2-oxazol-4-yl)propanamide is sourced from PubChem (CID 170119820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).